(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine

C11H17NO — CID 93237376

IUPAC(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OC[C@@H](C)CN)c1
InChIInChI=1S/C11H17NO/c1-9-4-3-5-11(6-9)13-8-10(2)7-12/h3-6,10H,7-8,12H2,1-2H3/t10-/m0/s1
InChIKeyIYQORBBUKOZKSQ-JTQLQIEISA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds4

About (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine

(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine (PubChem CID 93237376) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
PubChem CID93237376
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
SMILESCc1cccc(OC[C@@H](C)CN)c1
InChIInChI=1S/C11H17NO/c1-9-4-3-5-11(6-9)13-8-10(2)7-12/h3-6,10H,7-8,12H2,1-2H3/t10-/m0/s1
InChIKeyIYQORBBUKOZKSQ-JTQLQIEISA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
2-methyl-3-[2-(3-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66224960
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
3-N,3-N-dimethyl-4-(3-methylphenoxy)butane-1,3-diamine
CID 112500984
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
CID 117240560
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
CID 107659711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine?
The IUPAC name of (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine (CID 93237376) is (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine.
What is the SMILES notation for (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine?
The canonical SMILES for (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine is Cc1cccc(OC[C@@H](C)CN)c1.
What is the InChIKey of (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine?
The InChIKey is IYQORBBUKOZKSQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-3-5-11(6-9)13-8-10(2)7-12/h3-6,10H,7-8,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine?
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine is sourced from PubChem (CID 93237376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).